V018-1697 Screening compound: N-butyl-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}nonanamide

V018-1697 Screening compound: N-butyl-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}nonanamide
V018-1697 Screening compound: N-butyl-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1697
N-butyl-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}nonanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V018-1697

Molecular Formula

C31H48ClN3O2 (C31 H48 ClN3 O2)

Compound Name

N-butyl-N-{2-[{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}(isobutyl)amino]-2-oxoethyl}nonanamide

IUPAC name

N-butyl-N-{[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(2-methylpropyl)carbamoyl]methyl}nonanamide

SMILES

CCCCCCCCC(N(CCCC)CC(N(CC(C)C)Cc1cccn1Cc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C31H48ClN3O2/c1-5-7-9-10-11-12-19-30(36)34(20-8-6-2)25-31(37)35(22-26(3)4)24-28-17-15-21-33(28)23-27-16-13-14-18-29(27)32/h13-18,21,26H,5-12,19-20,22-25H2,1-4H3

InChI Key

FOCYQXHMDMKKDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14243965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.183

Distribution Coefficient, logD

8.183

Water Solubility, LogSw

-6.37

Polar Surface Area

34.198

Acid Dissociation Constant (pKa)

23.89

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.29

References: we are preparing a list of scientific research reports with V018-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1697?
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What is the minimum amount of V018-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1697
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V018-1697 available by request